Molecule

ID:82418

General Information
Structure
MolImage
Molecular Formula
C₈H₄Cl₂N₄O₂
Molecular Mass
259.04896
Exact Mass
257.97113075
Charge
0
InChI
InChI=1S/C8H4Cl2N4O2/c9-6-7(10)13(4-12-6)8-5(14(15)16)2-1-3-11-8/h1-4H
InChIKey
KUUXUQPCPSURCW-UHFFFAOYSA-N
Canonic Smiles
[O-][N+](=O)c1cccnc1n1cnc(c1Cl)Cl
Isomeric Smiles
n1(c2ncccc2[N+](=O)[O-])c(c(Cl)nc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.6221356
LogD (pH = 7.4)
1.622693
Log P
1.6227
Molar Refractivity
70.1597
Polarizability
21.850096
Polar Surface Area
76.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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